N-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide

C8H11N3O4S — CID 57009352

IUPACN-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide
SMILESCC(=O)Nc1cc(N)c(O)c(S(N)(=O)=O)c1
InChIInChI=1S/C8H11N3O4S/c1-4(12)11-5-2-6(9)8(13)7(3-5)16(10,14)15/h2-3,13H,9H2,1H3,(H,11,12)(H2,10,14,15)
InChIKeyGRRSHZLZISBSOI-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.42
Rot. Bonds2

About N-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide

N-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide (PubChem CID 57009352) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is N-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide
PubChem CID57009352
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC NameN-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide
SMILESCC(=O)Nc1cc(N)c(O)c(S(N)(=O)=O)c1
InChIInChI=1S/C8H11N3O4S/c1-4(12)11-5-2-6(9)8(13)7(3-5)16(10,14)15/h2-3,13H,9H2,1H3,(H,11,12)(H2,10,14,15)
InChIKeyGRRSHZLZISBSOI-UHFFFAOYSA-N
XLogP-0.42
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide?
The IUPAC name of N-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide (CID 57009352) is N-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide?
The canonical SMILES for N-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide is CC(=O)Nc1cc(N)c(O)c(S(N)(=O)=O)c1.
What is the InChIKey of N-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide?
The InChIKey is GRRSHZLZISBSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-4(12)11-5-2-6(9)8(13)7(3-5)16(10,14)15/h2-3,13H,9H2,1H3,(H,11,12)(H2,10,14,15).
What are the key properties of N-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide?
N-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide has a molecular weight of 245.26 g/mol, XLogP of -0.42, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-hydroxy-5-sulfamoylphenyl)acetamide is sourced from PubChem (CID 57009352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).